[3-bromanyl-4-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]phenyl] ester Formula: C17H15BrN2OS2 MolecularWeight: 407.3478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C17H15BrN2OS2/c1-11-3-4-12(2)16(7-11)22-9-17(21)20-15-6-5-13(23-10-19)8-14(15)18/h3-8H,9H2,1-2H3,(H,20,21)